HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57968898Generated: November 3, 2026
2-[3-Formyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-6-(2-methoxy-ethylamino)-nicotinonitrile
https://huagongshe.com/en/chemical/57968898
Identifiers & Physical Properties
| Molecular formula | C22H26BN3O5 |
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| Average molar mass | 423.3 g/mol |
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| Monoisotopic mass | 423.1965511 g/mol |
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| SMILES | COCCNc1ccc(C#N)c(Oc2ccc(B3OC(C)(C)C(C)(C)O3)c(C=O)c2)n1 |
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| InChIKey | AWVLTUSJMGJWOV-UHFFFAOYSA-N |
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| PubChem CID | 57968898 |
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Chemical & Physical Properties
| Topological polar surface area | 103 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 31 |
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| Formal charge | 0 |
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| Complexity | 651 |
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![2-[3-Formyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-6-(2-methoxy-ethylamino)-nicotinonitrile molecular structure](/img/chemical/57968898.png)